SCHEMBL9806232

SCHEMBL9806232

O=[N+]([O-])C(CCO)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
HIF1A Q16665 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
BLM P54132 1/20 0.31
HBB P68871 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10894353 0.97 ALDH1A1 (0.39) ALDH1A1TDP1HIF1AHPGDTSHR
Potassium Ion SCHEMBL10894348 0.97 ALDH1A1 (0.39) ALDH1A1TDP1HIF1AHPGDTSHR
SCHEMBL10386640 0.83 ALDH1A1 (0.38) ALDH1A1TDP1HIF1AHPGDTSHR
SCHEMBL10580576 0.75
SCHEMBL3800523 0.74
SCHEMBL11405888 0.73 ALDH1A1 (0.36) ALDH1A1TDP1HIF1AHPGDCA5A
Fluoride SCHEMBL28301465 0.73 ALDH1A1 (0.36) ALDH1A1TDP1HIF1AHPGDCA5A
SCHEMBL3114905 0.72
SCHEMBL5356079 0.72
SCHEMBL6671110 0.72

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093301-B Fluorine-containing adhesive system poured metallized explosive and preparation method thereof 北京理工大学 2023-02-10 CN claimed
CN-115093301-A Fluorine-containing adhesive system poured metallized explosive and preparation method thereof 北京理工大学 2022-09-23 CN claimed
CN-110156548-B Casting type high-energy insensitive explosive and preparation method thereof 北京理工大学 2022-05-20 CN claimed
CN-110423184-A A kind of solid propellant rocket propellant and preparation method thereof SHANGHAI AVIATION CHEMICAL APPLICATION RES INSTITUTE 2019-11-08 CN claimed
CN-106866321-A A kind of anti-caking auxiliary agent for gas generant composition in accordance oxidant and preparation method thereof 湖州航天精细化工有限责任公司 2017-06-20 CN claimed
US-20160033250-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2016-02-04 US claimed
CN-117630085-A Thermosetting elastomer thermal aging state evaluation method 中国人民解放军国防科技大学 2024-03-01 CN disclosed
CN-115093301-B Fluorine-containing adhesive system poured metallized explosive and preparation method thereof 北京理工大学 2023-02-10 CN disclosed
CN-115093301-A Fluorine-containing adhesive system poured metallized explosive and preparation method thereof 北京理工大学 2022-09-23 CN disclosed
CN-110156548-B Casting type high-energy insensitive explosive and preparation method thereof 北京理工大学 2022-05-20 CN disclosed
CN-110423184-B Propellant for solid rocket engine and preparation method thereof 上海航天化工应用研究所 2021-07-13 CN disclosed
US-11040922-B2 Hydrogen peroxide solvates of energetic materials THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-06-22 US disclosed
CN-109942354-B PBT propellant low-temperature mechanical property estimation method based on contact angle data and formula 中国人民解放军国防科技大学 2021-04-02 CN disclosed
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF AGENCY FOR DEFENSE DEVELOPMENT (KR) 2015-04-30 US disclosed
US-20120305150-A1 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-12-06 US disclosed
US-8318959-B1 Synthesis and polymerization of glycidyl ethers FLUROCHEM, INC. (US) 2012-11-27 US disclosed
WO-2012109354-A2 CRYSTALLINE EXPLOSIVE MATERIAL THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-08-16 WO disclosed
US-5067996-A Cyclic nitramine pyrolyzable binder THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1991-11-26 US disclosed
US-H350-H Energetic polynitro formal plasticizers THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1987-10-06 US disclosed
US-4323518-A Polynitroethylthionocarbonates and method of preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1982-04-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150119599-A1 GEM-DINITRO ESTER ENERGETIC MATERIAL USING ESTERIFICATION AND PREPARATION METHOD THEREOF GMNN, GEMIN5, GEMIN4 ALDH1A1 300/4885TDP1 3257/4885HIF1A 1817/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.